Information card for entry 7043595

Structure parameters

• Formula: C88 H148 Ni2 O46 Ti12
• Calculated formula: C88 H148 Ni2 O46 Ti12
• Title of publication: The effects of transition-metal doping and chromophore anchoring on the photocurrent response of titanium-oxo-clusters
• Authors of publication: Yang, Shen; Su, Hu-Chao; Hou, Jin-Le; Luo, Wen; Zou, Dan-Hong; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.6941 ± 0.001 Å
• b: 13.8919 ± 0.0009 Å
• c: 29.99 ± 0.002 Å
• α: 90°
• β: 100.884 ± 0.002°
• γ: 90°
• Cell volume: 6011.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1903
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No